Potassium Cation → 6-Fluoro-2-[(4-methoxyphenyl)methyl]-7-phenylisoquinolin-1(2H)-one

HRID 157104Notes

Reaction equation

HRID 157104 reaction equation
[Br:1][c:2]1[c:3]([F:22])[cH:4][c:5]2[cH:6][cH:7][n:8]([CH2:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]3)[c:9](=[O:12])[c:10]2[cH:11]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[K+:23].[K+:24].[O-:25][C:26]([O-:27])=[O:28].[OH:29][B:30]([OH:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[c:2]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:3]([F:22])[cH:4][c:5]2[cH:6][cH:7][n:8]([CH2:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]3)[c:9](=[O:12])[c:10]2[cH:11]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 1140TolueneHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 598182577-bromo-6-fluoro-2-(4-methoxybenzyl)isoquinolin-1(2H)-one

Product 1

HCID 576525476-Fluoro-2-[(4-methoxyphenyl)methyl]-7-phenylisoquinolin-1(2H)-one

Sources & evidence

ORD record
ord-eb9bfa3637a94b57beded6997b1ee666
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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